
 CHEMBL3355965

 83 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3355965

>  <PubChem CID>
118721205

>  <Formula>
C34H38Cl2FN5O3

>  <Molecular Weight>
654.608000

>  <IUPAC Name>
6-[3-[1-[(3R)-4-(3,4-dichlorophenyl)-3-(ethylcarbamoylamino)butyl]piperidin-4-yl]-2-ethyl-6-fluoroindol-1-yl]pyridine-3-carboxylic acid

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=C(C2=C(N1C3=NC=C(C=C3)C(=O)O)C=C(C=C2)F)C4CCN(CC4)CCC(CC5=CC(=C(C=C5)Cl)Cl)NC(=O)NCC

>  <Isomeric SMILES>
CCC1=C(C2=C(N1C3=NC=C(C=C3)C(=O)O)C=C(C=C2)F)C4CCN(CC4)CC[C@@H](CC5=CC(=C(C=C5)Cl)Cl)NC(=O)NCC

>  <InChI Std. ID>
InChI=1S/C34H38Cl2FN5O3/c1-3-29-32(26-8-7-24(37)19-30(26)42(29)31-10-6-23(20-39-31)33(43)44)22-11-14-41(15-12-22)16-13-25(40-34(45)38-4-2)17-21-5-9-27(35)28(36)18-21/h5-10,18-20,22,25H,3-4,11-17H2,1-2H3,(H,43,44)(H2,38,40,45)/t25-/m0/s1

>  <InChI Key>
CRQFSPXWIUARST-VWLOTQADSA-N

